4-bromo-5-cyclopentyl-1H-pyrazole

C8H11BrN2 — CID 62633718

IUPAC4-bromo-5-cyclopentyl-1H-pyrazole
SMILESBrc1cn[nH]c1C1CCCC1
InChIInChI=1S/C8H11BrN2/c9-7-5-10-11-8(7)6-3-1-2-4-6/h5-6H,1-4H2,(H,10,11)
InChIKeyTXVIOQGNPMZMMJ-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.83
Rot. Bonds1

About 4-bromo-5-cyclopentyl-1H-pyrazole

4-bromo-5-cyclopentyl-1H-pyrazole (PubChem CID 62633718) has the molecular formula C8H11BrN2 and a molecular weight of 215.09 g/mol. Its IUPAC name is 4-bromo-5-cyclopentyl-1H-pyrazole.

Molecular Properties

Compound Name4-bromo-5-cyclopentyl-1H-pyrazole
PubChem CID62633718
Molecular FormulaC8H11BrN2
Molecular Weight215.09 g/mol
Exact Mass214.01
IUPAC Name4-bromo-5-cyclopentyl-1H-pyrazole
SMILESBrc1cn[nH]c1C1CCCC1
InChIInChI=1S/C8H11BrN2/c9-7-5-10-11-8(7)6-3-1-2-4-6/h5-6H,1-4H2,(H,10,11)
InChIKeyTXVIOQGNPMZMMJ-UHFFFAOYSA-N
XLogP2.83
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-cyclopentyl-1H-pyrazole?
The IUPAC name of 4-bromo-5-cyclopentyl-1H-pyrazole (CID 62633718) is 4-bromo-5-cyclopentyl-1H-pyrazole.
What is the SMILES notation for 4-bromo-5-cyclopentyl-1H-pyrazole?
The canonical SMILES for 4-bromo-5-cyclopentyl-1H-pyrazole is Brc1cn[nH]c1C1CCCC1.
What is the InChIKey of 4-bromo-5-cyclopentyl-1H-pyrazole?
The InChIKey is TXVIOQGNPMZMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2/c9-7-5-10-11-8(7)6-3-1-2-4-6/h5-6H,1-4H2,(H,10,11).
What are the key properties of 4-bromo-5-cyclopentyl-1H-pyrazole?
4-bromo-5-cyclopentyl-1H-pyrazole has a molecular weight of 215.09 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-cyclopentyl-1H-pyrazole is sourced from PubChem (CID 62633718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).